[(2S,3S)-3-[(2S,3S)-3-(methylsulfonyloxymethyl)oxiran-2-yl]oxiran-2-yl]methyl methanesulfonate

C8H14O8S2 — CID 135583340

IUPAC[(2S,3S)-3-[(2S,3S)-3-(methylsulfonyloxymethyl)oxiran-2-yl]oxiran-2-yl]methyl methanesulfonate
SMILESCS(=O)(=O)OC[C@@H]1O[C@@H]1[C@H]1O[C@H]1COS(C)(=O)=O
InChIInChI=1S/C8H14O8S2/c1-17(9,10)13-3-5-7(15-5)8-6(16-8)4-14-18(2,11)12/h5-8H,3-4H2,1-2H3/t5-,6-,7-,8-/m0/s1
InChIKeyMFJOKRDJJGVHTE-XAMCCFCMSA-N
MW302.33 g/mol
LogP-1.53
Rot. Bonds7

About [(2S,3S)-3-[(2S,3S)-3-(methylsulfonyloxymethyl)oxiran-2-yl]oxiran-2-yl]methyl methanesulfonate

[(2S,3S)-3-[(2S,3S)-3-(methylsulfonyloxymethyl)oxiran-2-yl]oxiran-2-yl]methyl methanesulfonate (PubChem CID 135583340) has the molecular formula C8H14O8S2 and a molecular weight of 302.33 g/mol. Its IUPAC name is [(2S,3S)-3-[(2S,3S)-3-(methylsulfonyloxymethyl)oxiran-2-yl]oxiran-2-yl]methyl methanesulfonate.

Molecular Properties

Compound Name[(2S,3S)-3-[(2S,3S)-3-(methylsulfonyloxymethyl)oxiran-2-yl]oxiran-2-yl]methyl methanesulfonate
PubChem CID135583340
Molecular FormulaC8H14O8S2
Molecular Weight302.33 g/mol
Exact Mass302.01
IUPAC Name[(2S,3S)-3-[(2S,3S)-3-(methylsulfonyloxymethyl)oxiran-2-yl]oxiran-2-yl]methyl methanesulfonate
SMILESCS(=O)(=O)OC[C@@H]1O[C@@H]1[C@H]1O[C@H]1COS(C)(=O)=O
InChIInChI=1S/C8H14O8S2/c1-17(9,10)13-3-5-7(15-5)8-6(16-8)4-14-18(2,11)12/h5-8H,3-4H2,1-2H3/t5-,6-,7-,8-/m0/s1
InChIKeyMFJOKRDJJGVHTE-XAMCCFCMSA-N
XLogP-1.53
TPSA111.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 5-1.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-3-[(2S,3S)-3-(methylsulfonyloxymethyl)oxiran-2-yl]oxiran-2-yl]methyl methanesulfonate?
The IUPAC name of [(2S,3S)-3-[(2S,3S)-3-(methylsulfonyloxymethyl)oxiran-2-yl]oxiran-2-yl]methyl methanesulfonate (CID 135583340) is [(2S,3S)-3-[(2S,3S)-3-(methylsulfonyloxymethyl)oxiran-2-yl]oxiran-2-yl]methyl methanesulfonate.
What is the SMILES notation for [(2S,3S)-3-[(2S,3S)-3-(methylsulfonyloxymethyl)oxiran-2-yl]oxiran-2-yl]methyl methanesulfonate?
The canonical SMILES for [(2S,3S)-3-[(2S,3S)-3-(methylsulfonyloxymethyl)oxiran-2-yl]oxiran-2-yl]methyl methanesulfonate is CS(=O)(=O)OC[C@@H]1O[C@@H]1[C@H]1O[C@H]1COS(C)(=O)=O.
What is the InChIKey of [(2S,3S)-3-[(2S,3S)-3-(methylsulfonyloxymethyl)oxiran-2-yl]oxiran-2-yl]methyl methanesulfonate?
The InChIKey is MFJOKRDJJGVHTE-XAMCCFCMSA-N. The full InChI is InChI=1S/C8H14O8S2/c1-17(9,10)13-3-5-7(15-5)8-6(16-8)4-14-18(2,11)12/h5-8H,3-4H2,1-2H3/t5-,6-,7-,8-/m0/s1.
What are the key properties of [(2S,3S)-3-[(2S,3S)-3-(methylsulfonyloxymethyl)oxiran-2-yl]oxiran-2-yl]methyl methanesulfonate?
[(2S,3S)-3-[(2S,3S)-3-(methylsulfonyloxymethyl)oxiran-2-yl]oxiran-2-yl]methyl methanesulfonate has a molecular weight of 302.33 g/mol, XLogP of -1.53, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-3-[(2S,3S)-3-(methylsulfonyloxymethyl)oxiran-2-yl]oxiran-2-yl]methyl methanesulfonate is sourced from PubChem (CID 135583340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).